3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide
TL;DR: 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide (CAS 403-13-4) is a chemical compound with molecular formula C10H13BrFNO2 and molecular weight 277.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-fluoroethyl)pyridin-1-ium-3-carboxylate bromide
Also Known As: 3-Carbethoxy-N-2-fluoroethylpyridinium bromide, 3-(ethoxycarbonyl)-1-(2-fluoroethyl)pyridinium bromide, Pyridinium, 3-ethoxycarbonyl-1-(2-fluoroethyl)-, bromide, Pyridinium,3-ethoxycarbonyl-1-(2-fluoroethyl)-,bromide, 3-(ETHOXYCARBONYL)-1-(2-FLUOROETHYL)PYRIDIN-1-IUM BROMIDE
| Molecular Formula | C10H13BrFNO2 |
|---|---|
| Molecular Weight | 277.01 g/mol |
| LogP | -1.88 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.01138 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 403-13-4 |
|---|---|
| SMILES | CCOC(=O)C1=C[N+](=CC=C1)CCF.[Br-] |
| InChIKey | ZVNLBWUXFPUAKZ-UHFFFAOYSA-M |
Product Overview
3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide (CAS 403-13-4), with molecular formula C10H13BrFNO2 and molecular weight 277.01 g/mol. IUPAC: ethyl 1-(2-fluoroethyl)pyridin-1-ium-3-carboxylate bromide.
Chemical Property Profile of 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide
Property Insights of 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide
The XLogP value of -1.88 indicates that 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.2 Ų, 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide?
The CAS number of 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide is 403-13-4.
What is the molecular formula of 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide?
The molecular formula of 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide is C10H13BrFNO2.
What is the molecular weight of 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide?
The molecular weight of 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide is 277.01 g/mol.
Where can I buy 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide?
You can request a quote for 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.